Directory: Chemistry - Computational
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Listed sites in Computational
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Molecules.org
Molecules.org
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url: http://www.molecules.org/ size: 11692 - last check: - status: 200
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The Computer-Aided Nanotechnology Site
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url: http://www.mathub.com/ size: 10604 - last check: - status: 200
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Computational Chemistry, Data Analysis, Training and Consultancy
Intertek ASG Computational Chemistry Group: extensive expertise and experience in traditional computational chemistry and dealing with complex data. Services provided by the group include calculation of molecular properties using computational chemistry,
url: http://www.intertek-cb.com/newsitetes... size: 30444 - last check: - status: 200
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MathMol
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url: http://www.nyu.edu/pages/mathmol/ size: 6443 - last check: - status: 206
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First Principles Research
Research Theorists in Physics and Chemistry.
url: http://www.firstprinciples.com size: 4313 - last check: - status: 206
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The doubly nudged elastic band method and its applications
Semen A Trygubenko
Doubly nudged elastic band method test cases
url: http://www-wales.ch.cam.ac.uk/~sat39/... size: 15708 - last check: - status: 206
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EPSRC National Service for Computational Chemistry Software
EPSRC National Service for Computational Chemistry was set up to provide software, specialist consultation, computing resources and software training to support UK academics working in the fields of chemistry and materials science.
url: http://www.nsccs.ac.uk/ size: 13885 - last check: - status: 200
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CCCBDB Computational Chemistry Comparison and Benchmark Database
Ideal-gas thermochemistry. Comparisons between theory and experiment., The Computational Chemistry Comparison and Benchmark Database (CCCBDB) contains links to experimental and computational thermochemical data for a selected set of gas-phase atoms and
url: http://srdata.nist.gov/cccbdb/Default... size: 1253 - last check: - status: 206
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Redirect
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url: http://www.ch.cam.ac.uk/SGTL/ size: 4226 - last check: - status: 206
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Center for Molecular Modeling
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url: http://cmm.info.nih.gov/modeling/ size: 287 - last check: - status: 206
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www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html
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url: http://www.cmbi.ru.nl/tutorials/chemi... size: 4112 - last check: - status: 206
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